| Title |
Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design
|
|---|---|
| Published in |
Perspectives in Drug Discovery and Design, December 2011
|
| DOI | 10.1007/s10822-011-9504-3 |
| Pubmed ID | |
| Authors |
Robert D. Clark, Marvin Waldman |
| Abstract |
The computational chemistry and cheminformatics community faces many challenges to advancing the state of the art. We discuss three of those challenges here: accurately estimating the contribution of entropy to ligand binding; reliably estimating the uncertainties in model predictions for new molecules; and being able to effectively curate the ever-expanding literature and commercial databases needed to build new models. |
Mendeley readers
The data shown below were compiled from readership statistics for 68 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Germany | 2 | 3% |
| United States | 2 | 3% |
| United Kingdom | 2 | 3% |
| Colombia | 1 | 1% |
| Switzerland | 1 | 1% |
| Portugal | 1 | 1% |
| Bulgaria | 1 | 1% |
| Canada | 1 | 1% |
| France | 1 | 1% |
| Other | 4 | 6% |
| Unknown | 52 | 76% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 32 | 47% |
| Student > Ph. D. Student | 13 | 19% |
| Other | 6 | 9% |
| Professor > Associate Professor | 4 | 6% |
| Lecturer | 3 | 4% |
| Other | 7 | 10% |
| Unknown | 3 | 4% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 27 | 40% |
| Agricultural and Biological Sciences | 14 | 21% |
| Computer Science | 7 | 10% |
| Pharmacology, Toxicology and Pharmaceutical Science | 4 | 6% |
| Biochemistry, Genetics and Molecular Biology | 3 | 4% |
| Other | 7 | 10% |
| Unknown | 6 | 9% |
Attention Score in Context
This research output has an Altmetric Attention Score of 9. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 22 December 2011.
All research outputs
#4,169,029
of 25,457,297 outputs
Outputs from Perspectives in Drug Discovery and Design
#164
of 949 outputs
Outputs of similar age
#31,886
of 247,307 outputs
Outputs of similar age from Perspectives in Drug Discovery and Design
#11
of 24 outputs
Altmetric has tracked 25,457,297 research outputs across all sources so far. Compared to these this one has done well and is in the 83rd percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 949 research outputs from this source. They typically receive a little more attention than average, with a mean Attention Score of 5.3. This one has done well, scoring higher than 82% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 247,307 tracked outputs that were published within six weeks on either side of this one in any source. This one has done well, scoring higher than 87% of its contemporaries.
We're also able to compare this research output to 24 others from the same source and published within six weeks on either side of this one. This one has gotten more attention than average, scoring higher than 50% of its contemporaries.